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Simeton

Simeton structure

CAS No:
673-04-1
Formula:
C8H15N5O
Chemical Name:
Simeton
Synonyms:
1,3,5-Triazine-2,4-diamine,N2,N4-diethyl-6-methoxy-;s-Triazine,2,4-bis(ethylamino)-6-methoxy-;1,3,5-Triazine-2,4-diamine,N,N′-diethyl-6-methoxy-;N2,N4-Diethyl-6-methoxy-1,3,5-triazine-2,4-diamine;G-30044;Geigy 30,044;4,6-Bis (ethylamino)-2-methoxy-s-triazine;2,4-Bis(ethylamino)-6-methoxy-s-triazine;Gesadural;2-Methoxy-4,6-bis(ethylamino)-s-triazine;Pimeton;Simeton;Simetone;NSC 163050;2-N,4-N-Diethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-Methoxy-4,6-bisethylamino-1,3,5-triazine
Categories:
Agrochemicals > Herbicides

Description

ChEBI: A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which one of the hydrogens of each amino group has been replaced by an ethyl group.

Simeton is a methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which one of the hydrogens of each amino group has been replaced by an ethyl group. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a methoxy-1,3,5-triazine and a diamino-1,3,5-triazine. It derives from a 6-methoxy-1,3,5-triazine-2,4-diamine.

Simeton Basic Attributes

Molecular Weight：

197.24

Exact Mass：

197.24

EC Number：

211-601-4

UNII：

387DQL493M

NSC Number：

163050

DSSTox ID：

DTXSID9042388

HScode：

2933699090

Characteristics

PSA：

XLogP3：

1.8

Density：

1.195g/cm3

Melting Point：

92-94ºC

Boiling Point：

346.7°C at 760 mmHg

Refractive Index：

1.589

Water Solubility：

3.2g/L(21 ºC)

Vapor Pressure：

2.40e-06 mmHg

Toxicity：

Oral-Rat LD50: 535 mg/kg; Intravenous-Mouse LD50: 180 mg/kg

Flammability characteristics：

Combustion produces toxic nitrogen oxide gas

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Mobility：

218.78 L/kg

Drug Information

MeSH Entry Terms：

2-methoxy-4-ethylamino-6-ethylamino-1,3,5-triazine

Simeton Use and Manufacturing

Use Classification：

Pesticides -> Herbicides -> Triazine herbicides -> Methylthiotriazine herbicides

Agrochemical：

Simeton has known environmental transformation products that include Simazine-2-hydroxy.

Computed Properties

Molecular Weight:197.24
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:197.12766012
Monoisotopic Mass:197.12766012
Topological Polar Surface Area:72
Heavy Atom Count:14
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes